Compound Detail
CHEMBL542834
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CC(C)c1ccc2nc3ccc(C(=O)NCCN4C(C)(C)CCCC4(C)C)cn3c(=O)c2c1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL542834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHCMVOXUHXXGNW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191698 |
| Active Moiety | CHEMBL1191698 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
4.74
ALogP
5
HBA
1
HBD
66.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 1000.0 | nM | 6.0 | Ability to prevent constrictions induced by SRS-A (slow reacting substance of an... | 6313920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6313920 | 10.1021/jm00365a016 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine